6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine

C55H38N4 — CID 129200930

IUPAC6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc21
InChIInChI=1S/C55H38N4/c1-55(2)47-25-13-11-23-46(47)50-42(24-15-26-48(50)55)40-32-39(35-28-30-36(31-29-35)51-45-22-10-9-20-43(45)44-21-12-14-27-49(44)56-51)33-41(34-40)54-58-52(37-16-5-3-6-17-37)57-53(59-54)38-18-7-4-8-19-38/h3-34H,1-2H3
InChIKeyCBPMMHOYMHJXMK-UHFFFAOYSA-N
MW754.94 g/mol
LogP13.88
Rot. Bonds6

About 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine

6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine (PubChem CID 129200930) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine.

Molecular Properties

Compound Name6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine
PubChem CID129200930
Molecular FormulaC55H38N4
Molecular Weight754.94 g/mol
Exact Mass754.31
IUPAC Name6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc21
InChIInChI=1S/C55H38N4/c1-55(2)47-25-13-11-23-46(47)50-42(24-15-26-48(50)55)40-32-39(35-28-30-36(31-29-35)51-45-22-10-9-20-43(45)44-21-12-14-27-49(44)56-51)33-41(34-40)54-58-52(37-16-5-3-6-17-37)57-53(59-54)38-18-7-4-8-19-38/h3-34H,1-2H3
InChIKeyCBPMMHOYMHJXMK-UHFFFAOYSA-N
XLogP13.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.94
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[c][2,7]naphthyridine
CID 129201332
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenanthridine
CID 129200923
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]phenyl]phenanthridine
CID 129201356
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 118427231
5-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine
CID 129201316
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
5-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[c][2,7]naphthyridine
CID 129201295
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-propan-2-ylphenyl)phenyl]phenyl]phenanthridine
CID 129201361

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine?
The IUPAC name of 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine (CID 129200930) is 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine.
What is the SMILES notation for 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine?
The canonical SMILES for 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine is CC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc21.
What is the InChIKey of 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine?
The InChIKey is CBPMMHOYMHJXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4/c1-55(2)47-25-13-11-23-46(47)50-42(24-15-26-48(50)55)40-32-39(35-28-30-36(31-29-35)51-45-22-10-9-20-43(45)44-21-12-14-27-49(44)56-51)33-41(34-40)54-58-52(37-16-5-3-6-17-37)57-53(59-54)38-18-7-4-8-19-38/h3-34H,1-2H3.
What are the key properties of 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine?
6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine has a molecular weight of 754.94 g/mol, XLogP of 13.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine is sourced from PubChem (CID 129200930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).